[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine

C7H6F2I2N2 — CID 130100564

IUPAC[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine
SMILESNCc1cc(I)c(I)nc1C(F)F
InChIInChI=1S/C7H6F2I2N2/c8-6(9)5-3(2-12)1-4(10)7(11)13-5/h1,6H,2,12H2
InChIKeyLWCDRXDLKWIAEA-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.69
Rot. Bonds2

About [2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine

[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine (PubChem CID 130100564) has the molecular formula C7H6F2I2N2 and a molecular weight of 409.94 g/mol. Its IUPAC name is [2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine
PubChem CID130100564
Molecular FormulaC7H6F2I2N2
Molecular Weight409.94 g/mol
Exact Mass409.86
IUPAC Name[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine
SMILESNCc1cc(I)c(I)nc1C(F)F
InChIInChI=1S/C7H6F2I2N2/c8-6(9)5-3(2-12)1-4(10)7(11)13-5/h1,6H,2,12H2
InChIKeyLWCDRXDLKWIAEA-UHFFFAOYSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid
CID 130100706
3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine
CID 119017545
2-(difluoromethyl)-3-fluoro-5,6-diiodopyridine
CID 130100474
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
methyl 5-(aminomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100242
[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820073
5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine
CID 130098671
[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
CID 130085543
[2-(difluoromethyl)-5,6-dimethyl-3-pyridinyl]methanamine
CID 130101245
methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133101263
6-(difluoromethyl)-2,5-diiodopyridin-3-amine
CID 130100401
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridin-3-ol
CID 118848322

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine?
The IUPAC name of [2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine (CID 130100564) is [2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine is NCc1cc(I)c(I)nc1C(F)F.
What is the InChIKey of [2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine?
The InChIKey is LWCDRXDLKWIAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2I2N2/c8-6(9)5-3(2-12)1-4(10)7(11)13-5/h1,6H,2,12H2.
What are the key properties of [2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine?
[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine has a molecular weight of 409.94 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine is sourced from PubChem (CID 130100564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).